Geometry & MOs

Info

ID:	159724
PubChem CID:	57288669
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-9.75
Dipole, Da:	5.1
IP(EA), eV:	-8.49(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminopropanoylamino)-2-ethynyliminopentanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(CN2C(=C3[C@@H]4CC(C3=C2O)C=C4)O)OCC5=CN=CC=C5

DOS

IR

Vibrations